1-[4-[4-(3-methyl-2-propylpiperidine-1-carbonyl)thiophen-2-yl]piperidin-1-yl]ethanone

C21H32N2O2S — CID 143816811

IUPAC1-[4-[4-(3-methyl-2-propylpiperidine-1-carbonyl)thiophen-2-yl]piperidin-1-yl]ethanone
SMILESCCCC1C(C)CCCN1C(=O)c1csc(C2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C21H32N2O2S/c1-4-6-19-15(2)7-5-10-23(19)21(25)18-13-20(26-14-18)17-8-11-22(12-9-17)16(3)24/h13-15,17,19H,4-12H2,1-3H3
InChIKeyHXKASUKRJZXZQA-UHFFFAOYSA-N
MW376.57 g/mol
LogP4.51
Rot. Bonds4

About 1-[4-[4-(3-methyl-2-propylpiperidine-1-carbonyl)thiophen-2-yl]piperidin-1-yl]ethanone

1-[4-[4-(3-methyl-2-propylpiperidine-1-carbonyl)thiophen-2-yl]piperidin-1-yl]ethanone (PubChem CID 143816811) has the molecular formula C21H32N2O2S and a molecular weight of 376.57 g/mol. Its IUPAC name is 1-[4-[4-(3-methyl-2-propylpiperidine-1-carbonyl)thiophen-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(3-methyl-2-propylpiperidine-1-carbonyl)thiophen-2-yl]piperidin-1-yl]ethanone
PubChem CID143816811
Molecular FormulaC21H32N2O2S
Molecular Weight376.57 g/mol
Exact Mass376.22
IUPAC Name1-[4-[4-(3-methyl-2-propylpiperidine-1-carbonyl)thiophen-2-yl]piperidin-1-yl]ethanone
SMILESCCCC1C(C)CCCN1C(=O)c1csc(C2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C21H32N2O2S/c1-4-6-19-15(2)7-5-10-23(19)21(25)18-13-20(26-14-18)17-8-11-22(12-9-17)16(3)24/h13-15,17,19H,4-12H2,1-3H3
InChIKeyHXKASUKRJZXZQA-UHFFFAOYSA-N
XLogP4.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[4-(3-methyl-2-propylpiperidine-1-carbonyl)thiophen-2-yl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]thiophen-2-yl]piperidin-1-yl]ethanone
CID 86646703
(3-methyl-2-propylpiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone
CID 166216586
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1-propylpiperidin-4-yl)thiophen-3-yl]methanone;methylsulfonylmethane
CID 143816892
1-[4-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)thiophen-2-yl]piperidin-1-yl]-4-hydroxybutan-1-one
CID 70998045
1-[4-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)thiophen-2-yl]piperidin-1-yl]-4-methoxybutan-1-one
CID 42646242
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-[1-(2-methylpropylsulfonyl)piperidin-4-yl]thiophen-3-yl]methanone
CID 59542568
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[5-(thian-4-yl)thiophen-3-yl]methanone
CID 68789274
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705006
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(5-pyrrolidin-3-ylthiophen-3-yl)methanone
CID 59542536
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]thiophen-3-yl]methanone
CID 59542540
5-[1-(1-fluorobutoxycarbonyl)piperidin-4-yl]thiophene-3-carboxylic acid
CID 68733312
(5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 62204901

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-methyl-2-propylpiperidine-1-carbonyl)thiophen-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(3-methyl-2-propylpiperidine-1-carbonyl)thiophen-2-yl]piperidin-1-yl]ethanone (CID 143816811) is 1-[4-[4-(3-methyl-2-propylpiperidine-1-carbonyl)thiophen-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(3-methyl-2-propylpiperidine-1-carbonyl)thiophen-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(3-methyl-2-propylpiperidine-1-carbonyl)thiophen-2-yl]piperidin-1-yl]ethanone is CCCC1C(C)CCCN1C(=O)c1csc(C2CCN(C(C)=O)CC2)c1.
What is the InChIKey of 1-[4-[4-(3-methyl-2-propylpiperidine-1-carbonyl)thiophen-2-yl]piperidin-1-yl]ethanone?
The InChIKey is HXKASUKRJZXZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2S/c1-4-6-19-15(2)7-5-10-23(19)21(25)18-13-20(26-14-18)17-8-11-22(12-9-17)16(3)24/h13-15,17,19H,4-12H2,1-3H3.
What are the key properties of 1-[4-[4-(3-methyl-2-propylpiperidine-1-carbonyl)thiophen-2-yl]piperidin-1-yl]ethanone?
1-[4-[4-(3-methyl-2-propylpiperidine-1-carbonyl)thiophen-2-yl]piperidin-1-yl]ethanone has a molecular weight of 376.57 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-methyl-2-propylpiperidine-1-carbonyl)thiophen-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 143816811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).